SCHEMBL4359501

SCHEMBL4359501

NC(=O)c1cc(Oc2ccc(OCc3ccccc3)cc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.57
MCL1 Q07820 2/20 0.51
FFAR1 O14842 5/20 0.50
FFAR4 Q5NUL3 2/20 0.50
OPRK1 P41145 1/20 0.50
KCNH2 Q12809 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
P4HTM Q9NXG6 1/20 0.48
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23488362 0.90 PARP10 (0.56) PARP10OPRK1KCNH2NR4A1NR4A2
SCHEMBL4364055 0.89 MCL1 (0.59) PARP10MCL1FFAR1FFAR4NR4A1
SCHEMBL4155509 0.86 PARP10 (0.51) PARP10OPRK1KCNH2SIRT2
SCHEMBL4364752 0.84 BRAF (0.62)
SCHEMBL4369342 0.82 PARP10 (0.54) PARP10
SCHEMBL3546465 0.79 FFAR1 (0.56) FFAR1FFAR4LMNA
SCHEMBL11617562 0.79 P4HTM (0.60) MCL1NR4A1NR4A2NR4A3P4HTM
SCHEMBL177841 0.79 PARP10 (0.54) PARP10OPRK1KCNH2
SCHEMBL5779477 0.78 OPRK1 (0.46) PARP10OPRK1KCNH2
SCHEMBL4338289 0.78 MET (0.56)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS PARP10 2596/4885MCL1 529/4885FFAR1 3443/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.